2-bromo-4-methyloxetane

C4H7BrO — CID 141178066

IUPAC2-bromo-4-methyloxetane
SMILESCC1CC(Br)O1
InChIInChI=1S/C4H7BrO/c1-3-2-4(5)6-3/h3-4H,2H2,1H3
InChIKeyFFLNKHJMDAMEJA-UHFFFAOYSA-N
MW151.00 g/mol
LogP1.52
Rot. Bonds

About 2-bromo-4-methyloxetane

2-bromo-4-methyloxetane (PubChem CID 141178066) has the molecular formula C4H7BrO and a molecular weight of 151.00 g/mol. Its IUPAC name is 2-bromo-4-methyloxetane.

Molecular Properties

Compound Name2-bromo-4-methyloxetane
PubChem CID141178066
Molecular FormulaC4H7BrO
Molecular Weight151.00 g/mol
Exact Mass149.97
IUPAC Name2-bromo-4-methyloxetane
SMILESCC1CC(Br)O1
InChIInChI=1S/C4H7BrO/c1-3-2-4(5)6-3/h3-4H,2H2,1H3
InChIKeyFFLNKHJMDAMEJA-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.00
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyloxetane?
The IUPAC name of 2-bromo-4-methyloxetane (CID 141178066) is 2-bromo-4-methyloxetane.
What is the SMILES notation for 2-bromo-4-methyloxetane?
The canonical SMILES for 2-bromo-4-methyloxetane is CC1CC(Br)O1.
What is the InChIKey of 2-bromo-4-methyloxetane?
The InChIKey is FFLNKHJMDAMEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO/c1-3-2-4(5)6-3/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-4-methyloxetane?
2-bromo-4-methyloxetane has a molecular weight of 151.00 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyloxetane is sourced from PubChem (CID 141178066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).